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4-[(2Z)-2-[1-oxo-6-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid

Formula:C34H24N6O11S2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(2Z)-2-[1-oxo-6-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
MolName4-[(2Z)-2-[1-oxo-6-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid
MolecularFormulaC34H24N6O11S2
SmilesOC(c(cc1)ccc1N/N=C(\C(S(O)(=O)=O)=Cc1c2ccc(NC(Nc(cc3)cc(C=C(/C4=N\Nc5ccccc5)S(O)(=O)=O)c3C4=O)=O)c1)/C2=O)=O
InChIInChI=1S/C34H24N6O11S2/c41-31-25-12-10-23(14-19(25)16-27(52(46,47)48)29(31)39-37-21-4-2-1-3-5-21)35-34(45)36-24-11-13-26-20(15-24)17-28(53(49,50)51)30(32(26)42)40-38-22-8-6-18(7-9-22)33(43)44/h1-17,37-38H,(H,43,44)(H2,35,36,45)(H,46,47,48)(H,49,50,51)
InChIKLLEYNLKOOUDXTC-UHFFFAOYSA-N
TotalMolweight756.728
Molweight756.728
MonoisotopicMass756.094449
CLogP4.0291
CLogS-7.223
H Acceptors17
H Donors7
TotalSurfaceArea513.95
Relative PSA0.42315
PolarSurfaceArea286.85
Druglikeness-0.43106
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.54717
Fragments1
Non HAtoms53
NonCHAtoms19
Electronegative Atoms19
Rotatable Bond9
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms5
Symmetricatoms6
Amides2
AcidicOxygens3
StereoCon

Request More Details | 4-[(2Z)-2-[1-oxo-6-[[(6Z)-5-oxo-6-(phenylhydrazinylidene)-7-sulfonaphthalen-2-yl]carbamoylamino]-3-sulfonaphthalen-2-ylidene]hydrazinyl]benzoic acid


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